General Information of the Compound
| Compound ID |
CP0539852
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| Compound Name |
US9428456, 1.079
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| Structure |
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| Formula |
C26H35N3O2
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| Molecular Weight |
421.585
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| Canonical SMILES |
CC(C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC(C)(C)C)c1)c1ccccc1
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| InChI |
InChI=1S/C26H35N3O2/c1-19(21-10-6-5-7-11-21)24(30)27-23-12-8-9-20(17-23)18-29-15-13-22(14-16-29)25(31)28-26(2,3)4/h5-12,17,19,22H,13-16,18H2,1-4H3,(H,27,30)(H,28,31)
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| InChIKey |
QRBTUJUIFNHOIZ-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound